SCHEMBL2115845

SCHEMBL2115845

CC(Nc1ccnc2ccnn12)c1cc2c(F)cc(F)cc2nc1N1CCNC(=O)C1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.35
SOS1 Q07889 2/20 0.34
PIK3CD O00329 1/20 0.34
PIK3R1 P27986 1/20 0.34
GRIA1 P42261 4/20 0.33
LRRK2 Q5S007 2/20 0.32
PRKCH P24723 1/20 0.31
PRKCE Q02156 1/20 0.31
CACNG2 Q9Y698 1/20 0.31
KRAS P01116 1/20 0.31
KDM4E B2RXH2 1/20 0.31
PRKD1 Q15139 1/20 0.30
IDH1 O75874 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2115835 1.00 DPP4 (0.35) DPP4SOS1PIK3CDPIK3R1GRIA1
SCHEMBL2113563 0.89 DPP4 (0.36) DPP4SOS1PIK3CDPIK3R1GRIA1
SCHEMBL2113571 0.89 DPP4 (0.36) DPP4SOS1PIK3CDPIK3R1GRIA1
SCHEMBL2117482 0.83 KRAS (0.40) SOS1GRIA1KRAS
SCHEMBL2117481 0.83 KRAS (0.40) SOS1GRIA1KRAS
SCHEMBL2117619 0.82 SOS1 (0.37) DPP4SOS1PIK3CDPIK3R1GRIA1
SCHEMBL2117633 0.82 SOS1 (0.37) DPP4SOS1PIK3CDPIK3R1GRIA1
SCHEMBL2112923 0.78 PIK3CD (0.36) DPP4SOS1PIK3CDPIK3R1KDM4E
SCHEMBL2114094 0.78 PIK3CD (0.36) DPP4SOS1PIK3CDPIK3R1KDM4E
SCHEMBL2112915 0.78 PIK3CD (0.36) DPP4SOS1PIK3CDPIK3R1KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120095005-A1 Fused Bicyclic Pyrazole Derivatives As Kinase Inhibitors UCB PHARMA S.A. (BE) 2012-04-19 US claimed
US-20120095005-A1 Fused Bicyclic Pyrazole Derivatives As Kinase Inhibitors UCB PHARMA S.A. (BE) 2012-04-19 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120095005-A1 Fused Bicyclic Pyrazole Derivatives As Kinase Inhibitors PI4KA, PDPK1, PIK3CA DPP4 576/4885SOS1 1776/4885PIK3CD 6/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.